Information on EC 3.4.21.97 - assemblin

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The enzyme appears in viruses and cellular organisms

EC NUMBER
COMMENTARY hide
3.4.21.97
-
RECOMMENDED NAME
GeneOntology No.
assemblin
-
REACTION
REACTION DIAGRAM
COMMENTARY hide
ORGANISM
UNIPROT
LITERATURE
Cleaves -Ala-/-Ser- and -Ala-/-Ala- bonds in the scaffold protein
show the reaction diagram
CAS REGISTRY NUMBER
COMMENTARY hide
139691-88-6
-
ORGANISM
COMMENTARY hide
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
-
-
-
Manually annotated by BRENDA team
-
-
-
Manually annotated by BRENDA team
equine herpesvirus type 2
-
-
-
Manually annotated by BRENDA team
Herpes simplex virus
-
-
-
Manually annotated by BRENDA team
Kaposi's sarcoma-associated herpesvirus
-
-
Manually annotated by BRENDA team
bioinformatic analyses identify SFA homologs in three subgroups of the alveolates, namely the apicomplexans, ciliates, and dinoflagellates, as well as in two subgroups of the stramenopiles, namely the diatoms and oomycetes
-
-
Manually annotated by BRENDA team
bioinformatic analyses identify SFA homologs in three subgroups of the alveolates, namely the apicomplexans, ciliates, and dinoflagellates, as well as in two subgroups of the stramenopiles, namely the diatoms and oomycetes
-
-
Manually annotated by BRENDA team
bioinformatic analyses identify SFA homologs in three subgroups of the alveolates, namely the apicomplexans, ciliates, and dinoflagellates, as well as in two subgroups of the stramenopiles, namely the diatoms and oomycetes
-
-
Manually annotated by BRENDA team
bioinformatic analyses identify SFA homologs in three subgroups of the alveolates, namely the apicomplexans, ciliates, and dinoflagellates, as well as in two subgroups of the stramenopiles, namely the diatoms and oomycetes
-
-
Manually annotated by BRENDA team
bioinformatic analyses identify SFA homologs in three subgroups of the alveolates, namely the apicomplexans, ciliates, and dinoflagellates, as well as in two subgroups of the stramenopiles, namely the diatoms and oomycetes
-
-
Manually annotated by BRENDA team
bioinformatic analyses identify SFA homologs in three subgroups of the alveolates, namely the apicomplexans, ciliates, and dinoflagellates, as well as in two subgroups of the stramenopiles, namely the diatoms and oomycetes
-
-
Manually annotated by BRENDA team
bioinformatic analyses identify SFA homologs in three subgroups of the alveolates, namely the apicomplexans, ciliates, and dinoflagellates, as well as in two subgroups of the stramenopiles, namely the diatoms and oomycetes
-
-
Manually annotated by BRENDA team
-
-
-
Manually annotated by BRENDA team
bioinformatic analyses identify SFA homologs in three subgroups of the alveolates, namely the apicomplexans, ciliates, and dinoflagellates, as well as in two subgroups of the stramenopiles, namely the diatoms and oomycetes
-
-
Manually annotated by BRENDA team
bioinformatic analyses identify SFA homologs in three subgroups of the alveolates, namely the apicomplexans, ciliates, and dinoflagellates, as well as in two subgroups of the stramenopiles, namely the diatoms and oomycetes
-
-
Manually annotated by BRENDA team
GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
physiological function
Herpes simplex virus
-
in a protease deletion mutant, capsids are assembled and portal protein is incorporated into capsids. Mutant does not replicate to appreciable extents on CV1 cells. The presence of the viral protease is required for immunoreactivity at the capsid surface with portal specific antibody
SUBSTRATE
PRODUCT                       
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
4-(4'-dimethylaminophenazo)benzoic acid-RGVVNAS-2-aminobutanoyl-RLN-5-[(2'-aminoethyl)-amino]-naphthalene-1-sulfonic acid + H2O
4-(4'-dimethylaminophenazo)benzoic acid-RGVVNA + S-2-aminobutanoyl-RLN-5-[(2'-aminoethyl)-amino]-naphthalene-1-sulfonic acid
show the reaction diagram
-
-
-
?
4-(4'-dimethylaminophenazo)benzoic acid-RGVVNASSRLA-5-[(2'-aminoethyl)-amino]-naphthalene-1-sulfonic acid + H2O
4-(4'-dimethylaminophenazo)benzoic acid-RGVVNA + SSRLA-5-[(2'-aminoethyl)-amino]-naphthalene-1-sulfonic acid
show the reaction diagram
-
-
-
?
4-(4'-dimethylaminophenylazo)benzoyl-Arg-Gly-Val-Val-Asn-Ala-Ser-Ser-Arg-Leu-Ala((2'-aminoethyl)amino-naphthalene-1)sulfonic acid + H2O
4-(4'-dimethylaminophenylazo)benzoyl-Arg-Gly-Val-Val-Asn-Ala + Ser-Ser-Arg-Leu-Ala((2'-aminoethyl)amino-naphthalene-1)sulfonic acid
show the reaction diagram
-
-
-
?
4-(4'-dimethylaminophenylazo)benzoyl-Arg-Gly-Val-Val-Asn-Ala-Ser-Ser-Arg-Leu-Ala-(2'-aminoethyl)amino-naphthalene-1-sulfonic acid + H2O
4-(4'-dimethylaminophenylazo)benzoyl-Arg-Gly-Val-Val-Asn-Ala + Ser-Ser-Arg-Leu-Ala-(2'-aminoethyl)amino-naphthalene-1-sulfonic acid
show the reaction diagram
4-[[4'-(dimethylamino)phenyl]azo]-benzoyl-Arg-Gly-Val-Val-Asn-Ala-Ser-Ser-Arg-Leu-Ala-5-[(2'-aminoethyl)-amino]naphthalenesulfonic acid + H2O
4-[[4'-(dimethylamino)phenyl]azo]-benzoyl-Arg-Gly-Val-Val-Asn-Ala + Ser-Ser-Arg-Leu-Ala-5-[(2'-aminoethyl)-amino]naphthalenesulfonic acid
show the reaction diagram
-
-
-
?
Abz-GVVNASSRLAY(NO2)G + H2O
anthranilamide-GVVNA + SSRLAY(NO2)G
show the reaction diagram
-
-
-
?
Abz-VVNASSLY(3-NO2)R-OH + H2O
Abz-VVNA + SSLY(3-NO2)R-OH
show the reaction diagram
-
-
-
-
ac-GVVNASARL-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
ac-RWGVVNAS-L-alpha-aminobutanoyl-RLATR-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
acetyl-Cys-tert-butylglycine-tert-butylglycine-Asn(Me)2-Ala-7-amido-4-methylcoumarin + H2O
acetyl-Cys-tert-butylglycine-tert-butylglycine-Asn(Me)2-Ala + 7-amino-4-methylcoumarin
show the reaction diagram
-
-
-
?
acetyl-L-Gln-L-Ala-gancyclovir + H2O
acetyl-L-Gln-L-Ala + ganciclovir
show the reaction diagram
-
dipeptide prodrugs of ganciclovir
-
-
?
AEAGALVNASSAAHVDV-NH2 + H2O
AEAGALVNA + SSAAHVDV-NH2
show the reaction diagram
-
-
-
?
ALVNASSAAHVDV-NH2 + H2O
ALVNA + SSAAHVDV-NH2
show the reaction diagram
-
-
-
?
assembly protein precursor of CMV (pAP) + H2O
?
show the reaction diagram
-
-
-
-
?
assembly protein precursor of cytomegalovirus + H2O
?
show the reaction diagram
-
the enzyme is essential for virus replication and functions during capsid assembly from pAP, i.e. assembly protein precursor
-
-
-
biotinyl-RGVVNASSRLAK-fluorescein isothiocyanate + H2O
biotinyl-RGVVNA + SSRLAK-fluorescein isothiocyanate
show the reaction diagram
-
-
-
?
cytomegalovirus assembly protein precursor + H2O
?
show the reaction diagram
-
cleavage at the C-terminal maturation site, i.e. M-site, between Ala643-Ser644, autoproteolytic cleavage at the R-site between Ala256-Ser257, internal cleavage sites, i.e. I-sites are Ala143-Ala144, Ala209-Ser210, cleavage occurs at the M-site first, followed by the R-site and then the I-sites
-
-
?
GVVNASCRLA + H2O
GVVNA + SCRLA
show the reaction diagram
HTYLQASEKFKM-NH2 + H2O
HTYLQA + SEKFKM-NH2
show the reaction diagram
-
-
-
?
HTYLQASEKFMW-NH2 + H2O
HTYLQA + SEKFMW-NH2
show the reaction diagram
-
-
-
?
N-(5'-phosphoribosyl)anthranilate isomerase + H2O
?
show the reaction diagram
-
site-specific cleavage and functional inactivation of the N-(5'-phosphoribosyl)anthranilate isomerase, thereby leading to an arrest of cell proliferation. Coexpressing N-(5'-phosphoribosyl)anthranilate isomerase1194-M with the protease exhibits a growth reduction of 35%. N-(5'-phosphoribosyl)anthranilate isomerase1132-M- as well as N-(5'-phosphoribosyl)anthranilate isomerase1165-M-expressing cells do not show growth reduction upon coexpressing HCMV protease, thus no cleavage occurs. Cells expressing the modified N-(5'-phosphoribosyl)anthranilate isomerase1194-Me together with the active protease show 85% reduction of cell proliferation, is cleaved in a sequence-specific manner
-
-
?
pPR + H2O
?
show the reaction diagram
-
one substrate used in this study is pPR itself inactivated by replacing its catalytic nucleophile (S132A)
-
-
?
RGVVNASSRLAK + H2O
RGVVNA + SSRLAK
show the reaction diagram
simian cytomegalovirus precursor assembly protein + H2O
assembly protein
show the reaction diagram
-
assemblin and its precursor, pPR, have comparable enzymatic activities
-
-
?
succinyl-LVNAS-2-aminobutyryl-EPT-NH2
succinyl-LVNA + S-2-aminobutyryl-EPT-NH2
show the reaction diagram
-
-
-
?
succinyl-RRILNASLAPE-NH2
succinyl-RRILNA + SLAPE-NH2
show the reaction diagram
-
-
-
?
succinyl-RRYIKASEPPV-NH2 + H2O
succinyl-RRYIKA + SEPPV-NH2
show the reaction diagram
-
-
-
?
succinyl-SYVKASVS-NH2 + H2O
succinyl-SYVKA + SVS-NH2
show the reaction diagram
-
-
-
?
succinyl-VVNAS-2-aminobutyryl-R-NH2 + H2O
succinyl-VVNA + S-2-aminobutyryl-R-NH2
show the reaction diagram
-
-
-
?
succinyl-YVKASEPLA-NH2 + H2O
succinyl-YVKA + SEPLA-NH2
show the reaction diagram
-
-
-
?
SYVKASVSPE + H2O
SYVKA + SVSPE
show the reaction diagram
additional information
?
-
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
assembly protein precursor of CMV (pAP) + H2O
?
show the reaction diagram
-
-
-
-
?
assembly protein precursor of cytomegalovirus + H2O
?
show the reaction diagram
-
the enzyme is essential for virus replication and functions during capsid assembly from pAP, i.e. assembly protein precursor
-
-
-
pPR + H2O
?
show the reaction diagram
-
one substrate used in this study is pPR itself inactivated by replacing its catalytic nucleophile (S132A)
-
-
?
additional information
?
-
-
the production of infectious cytomegalovirus requires neither I-site cleavage of assemblin nor the presence of assemblin in mature virion
-
?
INHIBITORS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
(2S)-2-[[(3aS,6S,6aR)-4-(1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00018 mM
(2S)-2-[[(3aS,6S,6aR)-4-(4-chloro-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00029 mM
(2S)-2-[[(3aS,6S,6aR)-4-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00024 mM
(2S)-2-[[(3aS,6S,6aR)-4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]-pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.0011 mM
(2S)-2-[[(3aS,6S,6aR)-4-(5-chloro-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00046 mM
(2S)-2-[[(3aS,6S,6aR)-4-(5-methoxy-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00023 mM
(2S)-2-[[(3aS,6S,6aR)-4-(5-methoxy[1,3]thiazolo[5,4-b]-pyridin-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00087 mM
(2S)-2-[[(3aS,6S,6aR)-4-(6-ethylcarboxylate-1,2-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]-pyrrol-1(2H)yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00035 mM
(2S)-2-[[(3aS,6S,6aR)-4-(6-fluoro-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00036 mM
(2S)-2-[[(3aS,6S,6aR)-4-(6-methoxy-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00022 mM
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-meth-yl5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropoxyphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00018 mM
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(1-naphthyl)pyrrolidine-1-carboxamide
-
IC50: 0.00065 mM
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(2-isopropylphenyl)pyrrolidine-1-carboxamide
-
0.00047 mM
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
-
IC50: 0.0014 mM
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-chlorophenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00026 mM
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.0002 mM
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-propoxyphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00021 mM
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
-
0.00059 mM
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
-
IC50: 0.00023 mM
(2S)-2-[[(3aS,6S,6aR)-4-[(-cis-2,3-dimethylcyclopropyl)-cis-carbonyl]-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
(2S)-2-[[(3aS,6S,6aR)-4-[(-cis-2,3-dimethylcyclopropyl)-cis-carbony]-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.0003 mM
(2S)-2-[[(3aS,6S,6aR)-4-[(-cis-2,3-dimethylcyclopropyl)-trans-carbonyl]-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.0018 mM
(2S)-2-[[(3aS,6S,6aR)-4-[5-[(difluoromethyl)sulfonyl]-1,3-benzothiazol-2-yl]-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)-pyrrolidine-1-carboxamide
-
IC50: 0.00021 mM
(2S)-2-[[(3aS,6S,6aR)-4-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-6-methyl-5-oxohexahydropyrrolo[3,2-b]-pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00031 mM
(2S)-2-[[(3aS,6S,6aR)-6-methyl-4-(4-nitrophenyl)-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.0087 mM
(2S)-2-[[(3aS,6S,6aR)-6-methyl-4-(6-nitro-1,3-benzothiazol-2-yl)-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]-carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00039 mM
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-(1,3-thiazol-2-yl)hexahydropyrrolo[3,2-b]pyrrol-1(2H)yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.0015 mM
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: above 0.02 mM
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-[1,3]thiazolo-[5,4-b]pyridin-2-ylhexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00029 mM
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
IC50: 0.00046 mM
(3aR,6R,6aS)-4-Acetyl-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 1 mM
(3aS,6S,6aR)-4-(2-Etoxy-acetyl)-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.006 mM
(3aS,6S,6aR)-4-Acetyl-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.11 mM; IC50: 0.79 mM
(3R,3aS,6aR)-1-Acetyl-3-methyl-4-([(2S)-1-[(4-methylphenyl) sulfonyl]pyrrolidin-2-yl]carbonyl)hexahydropyrrolo[3,2-b]pyrrol-2-one
-
IC50: 0.159 mM
(3R,3aS,6aR)-1-Acetyl-4-[((2S)-1-[[5-(dimethylamino)-1-naphthyl] sulfonyl]pyrrolidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: above 0.5 mM
(3R,3aS,6aR)-1-Acetyl-4-[[(2S)-1-benzoylpyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2-one
-
IC50: above 0.5 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-(2-naphthylsulfonyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: below 0.00019 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-1-(1-naphthylsulfonyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.00037 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-1-(4-propoxybenzoyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.00054 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-1-[(4-propoxyphenyl)sulfonyl]pyrrolidin-2-yl]-carbonyl]hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.00023 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)1-(phenylsulfonyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.0018 mM
(3S,3aR,6aS)-1-(Cyclopropylcarbonyl)-4-([(2S)-1-[(3-isopropoxyphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2-one
-
IC50: 0.065 mM
(3S,3aR,6aS)-1-(Cyclopropylcarbonyl)-4-[((2S)-1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2-one
-
IC50: 0.00034 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-(4-isopropylbenzoyl)pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)
-
IC50: 0.00039 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[(3-isopropoxyphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.065 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[(4-isopropoxyphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.0004 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[(4-isopropylphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.00046 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidin-2-yl]-carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.00034 mM
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[[6-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidin-2-yl]-carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.0011 mM
(3S,3aR,6aS)-1-Acetyl-3-methyl-4-([(2S)-1-[(4-methylphenyl) sulfonyl]pyrrolidin-2-yl]carbonyl)hexahydropyrrolo-[3,2-b]pyrrol-2-one
-
IC50: 0.014 mM
(3S,3aR,6aS)-1-Acetyl-4-[((2S)-1-[[5-(dimethylamino)-1-naphthyl] sulfonyl]pyrrolidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.00054 mM
(3S,3aR,6aS)-1-Acetyl-4-[[(2S)-1-benzoylpyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.05 mM
(3S,3aR,6aS)-4-[[(2S)-1-(1,1'-biphenyl-4-ylcarbonyl)-pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.0003 mM
(3S,3aR,6aS)-4-[[(2S)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-1(2H)-one
-
IC50: 0.0014 mM
(3S,3aR,6aS)-4-[[(2S)-1-(benzylsulfonyl)pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.0021 mM
(3S,3aR,6aS)-4-[[(2S)-1-[(4-chlorophenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: 0.00084 mM
(3S,3aR,6aS)-4-[[(2S)-1-[(5-chloro-3-methyl-1-benzothien-2-yl)carbonyl]pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2]pyrrol-2(1H)-one
-
IC50: 0.00019 mM
2-[2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-(1-methyl-2-oxo-propyl)-succinamide
-
-
2-[2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)-succinamide
-
-
2-[2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-(3,3,4,4,4-pentafluoro-1-methyl-2-oxo-butyl)-succinamide
-
-
3-[((2S)-2-[[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]pyrrolidin-1-yl)sulfonyl]-N,N-dimethylbenzamide
-
IC50: 0.00014 mM
3-[[((2S)-2-[[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]-carbonyl]pyrrolidin-1-yl)sulfonyl]methyl]-N,N-dimethylbenzamide
-
IC50: 0.0022 mM
4-(2-Etoxy-acetyl)-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.013 mM
Ac-Gly-Val-Val-Asn-Ala chloromethyl ketone
-
-
-
ac-VVNASC
-
Ki: 1.52 mM
-
ac-VVNASCR
-
Ki: 0.628 mM
-
ac-VVNASCRL
-
Ki: 0.390 mM
-
BI31
-
50% inhibitory at 0.0017 mM. Increasing inhibitor concentrations in cells expressing the active protease correlate with increasing cell proliferation
BI36
-
50% inhibitory at 0.0005 mM. Increasing inhibitor concentrations in cells expressing the active protease correlate with increasing cell proliferation
diisopropyl fluorophosphate
Herpes simplex virus
-
-
GVVNAACRLA
-
Ki: 0.072 mM
GVVNASCRLA
-
Ki: 0.225 mM
monobactam inhibitors
-
beta-lactam derivatives with a carbon side-chain at C4 and a urea function at N1
-
N-[(1S)-2-[rel-(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]-1-methyl-2-oxoethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
-
IC50: 0.007 mM
N-[2-benzyl-4-(1H-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
N-[2-benzyl-4-[(methylsulfonyl)carbamoyl]phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
N-[2-[rel-(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]-2-oxoethyl]-5-(dimethylamino)-N-methylnaphthalene-1-sulfonamide
-
IC50: above 0.1 mM
N1-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-2-[2-(3,3-dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-succinamide
-
-
-
rel-(3aS,6R,6aR)-3-methyl-2-oxo-hexahydro-pyrrolo-[3,2-b]pyrrolo-1,4-dicarboxylic acid 4-benzyl ester 1-methyl ester
-
0.5 mM, 7.9% inhibition after 15 min
rel-(3aS,6R,6aR)-4-acetoxyacetyl-6-methyl-5-oxohexahydro-pyrrolo[3,2-b]pyrrolo-1-carboxylic acid benzyl ester
-
IC50: 0.805 mM
rel-(3aS,6R,6aR)-4-acetyl-6-methyl-5-oxo-hexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 1.8 mM, 0.5 mM, 15.4% inhibition after 15 min
rel-(3aS,6R,6aR)-4-methanesulfonyl-6-methyl-5-oxohexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
0.5 mM, 15% inhibition after 15 min
rel-(3aS,6S,6aR)-4-(2,2-Dimethylpropanoyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.5 mM
rel-(3aS,6S,6aR)-4-(2,4-Dinitrophenyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.5 mM
rel-(3aS,6S,6aR)-4-(2-Hydroxy-3-phenoxypropyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.5 mM
rel-(3aS,6S,6aR)-4-(3-Hydroxypropanoyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.133 mM
rel-(3aS,6S,6aR)-4-(4-Methoxybenzoyl)-6-methyl-5-oxohexahydropyrrolo [3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.5 mM
rel-(3aS,6S,6aR)-4-(Bicyclo[4.2.0]octa-1,3,5-trien-7-ylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.0115 mM
rel-(3aS,6S,6aR)-4-(cis-2,3-Dimethylcyclopropanecarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.072 mM
rel-(3aS,6S,6aR)-4-(cyclobutylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.032 mM
rel-(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.009 mM
rel-(3aS,6S,6aR)-4-(Dimethoxyphosphoryl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.5 mM
rel-(3aS,6S,6aR)-4-(Hydroxymethyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.5 mM
rel-(3aS,6S,6aR)-4-(trans-2,3-Dimethylcyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.1 mM
rel-(3aS,6S,6aR)-4-Formyl-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.398 mM
rel-(3aS,6S,6aR)-4-Isobutyryl-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.126 mM
rel-(3aS,6S,6aR)-6-Methyl-4-(methylthio)-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.5 mM
rel-(3aS,6S,6aR)-6-Methyl-4-[(2-methylcyclopropyl)-carbonyl]-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.01 mM
rel-(3aS,6S,6aR)-6-Methyl-5-oxo-4-(1H-pyrrol-1-ylcarbonyl)-hexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: 0.25 mM
rel-(3aS,6S,6aR)-6-Methyl-5-oxo-4-(2,2,3,3-tetramethylcyclopropylcarbonyl) hexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.5 mM
rel-(3aS,6S,6aR)-6-Methyl-5-oxo-4-[(1E)-3-oxobut-1-enyl]-hexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
-
IC50: above 0.5 mM
rel-(3S,3aR,6aS)-1-(Cyclopropylcarbonyl)-4-[(1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]piperidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
IC50: above 0.013 mM
rel-(3S,3aR,6aS)-1-Acetyl-3-methyl-4-(2-oxo-3-phenylpropyl) hexahydropyrrolo[3,2-b]pyrrol-2-one
-
IC50: 0.079 mM
rel-(3S,3aR,6aS)-1-Acetyl-3-methyl-4-(phenoxyacetyl)-hexahydropyrrolo[3,2-b]pyrrol-2-one
-
IC50: 0.063 mM
rel-(3S,3aR,6aS)-1-Acetyl-3-methyl-4-[(1-methyl-1Hpyrrol-2-yl)(oxo)acetyl]hexahydropyrrolo[3,2-b]pyrrol-2-one
-
IC50: 0.005 mM
rel-(3S,3aR,6aS)-1-Acetyl-3-methyl-4-[(2-phenylethyl)-sulfonyl]hexahydropyrrolo[3,2-b]pyrrol-2-one
-
IC50: 0.045 mM
rel-(3S,3aR,6aS)-1-Acetyl-4-[2-(5-fluoro-2-methyl-1Hindol-3-yl)acetyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2-one
-
IC50: 0.006 mM
trans-2-oxo-hexahydro-pyrrolo[3,2-b]pyrrolo-1,4-dicarboxylic acid 4-benzyl ester 1 tert butyl ester
-
0.5 mM, 6.3% inhibition after 15 min
VVNASCRL
-
Ki: 0.699 mM
additional information
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
citrate
-
enhancement of activity in absence of glycerol
glycerol
-
promotes HCMV protease dimerization and subsequent proteolytic activity
additional information
-
self-interaction of pPR through its scaffolding domain plays an important role in activating the enzyme
-
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.009 - 0.033
4-(4'-dimethylaminophenazo)benzoic acid-RGVVNAS-2-aminobutanoyl-RLN-5-[(2'-aminoethyl)-amino]-naphthalene-1-sulfonic acid
0.092 - 0.097
4-(4'-dimethylaminophenazo)benzoic acid-RGVVNASSRLA-5-[(2'-aminoethyl)-amino]-naphthalene-1-sulfonic acid
-
dependent on enzyme concentration
-
0.0101 - 0.159
4-(4'-dimethylaminophenylazo)benzoyl-Arg-Gly-Val-Val-Asn-Ala-Ser-Ser-Arg-Leu-Ala-(2'-aminoethyl)amino-naphthalene-1-sulfonic acid
0.0042 - 0.0339
4-[[4'-(dimethylamino)phenyl]azo]-benzoyl-Arg-Gly-Val-Val-Asn-Ala-Ser-Ser-Arg-Leu-Ala-5-[(2-'aminoethyl)-amino]naphthalenesulfonic acid
0.125 - 0.134
Abz-GVVNASSRLAY(NO2)G
0.0118 - 0.0196
acetyl-Cys-tert-butylglycine-tert-butylglycine-Asn(Me)2-Ala-7-amido-4-methylcoumarin
-
24C
0.414 - 0.633
GVVNASCRLA
1.36
HTYLQASEKFKM-NH2
-
-
0.88
HTYLQASEKFMW-NH2
-
-
0.462 - 0.758
RGVVNASSRLAK
11 - 16
succinyl-LVNAS-2-aminobutyryl-EPT-NH2
1 - 2
succinyl-RRILNASLAPE-NH2
0.3 - 0.5
succinyl-RRYIKASEPPV-NH2
3 - 9
succinyl-SYVKASVS-NH2
4 - 10
succinyl-VVNAS-2-aminobutyryl-R-NH2
1 - 4
succinyl-YVKASEPLA-NH2
0.411 - 0.602
SYVKASVSPE
additional information
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(1-benzyl-2-oxo-2-thiazol-2-yl-ethyl)-acetamide
-
-
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.00833 - 0.0133
4-(4'-dimethylaminophenazo)benzoic acid-RGVVNAS-2-aminobutanoyl-RLN-5-[(2'-aminoethyl)-amino]-naphthalene-1-sulfonic acid
0.00061 - 0.046
4-(4'-dimethylaminophenylazo)benzoyl-Arg-Gly-Val-Val-Asn-Ala-Ser-Ser-Arg-Leu-Ala-(2'-aminoethyl)amino-naphthalene-1-sulfonic acid
0.000026 - 0.046
4-[[4'-(dimethylamino)phenyl]azo]-benzoyl-Arg-Gly-Val-Val-Asn-Ala-Ser-Ser-Arg-Leu-Ala-5-[(2'-aminoethyl)-amino]naphthalenesulfonic acid
0.367 - 0.583
Abz-GVVNASSRLAY(NO2)G
0.1 - 0.16
acetyl-Cys-tert-butylglycine-tert-butylglycine-Asn(Me)2-Ala-7-amido-4-methylcoumarin
Human herpesvirus 5
-
24C
0.182 - 0.242
GVVNASCRLA
0.28 - 0.308
RGVVNASSRLAK
0.0833 - 0.7
succinyl-LVNAS-2-aminobutyryl-EPT-NH2
0.1 - 0.217
succinyl-RRILNASLAPE-NH2
0.0333 - 0.0833
succinyl-RRYIKASEPPV-NH2
0.0167 - 0.217
succinyl-SYVKASVS-NH2
0.05 - 0.133
succinyl-VVNAS-2-aminobutyryl-R-NH2
0.0333 - 0.167
succinyl-YVKASEPLA-NH2
0.06 - 0.075
SYVKASVSPE
additional information
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(1-benzyl-2-oxo-2-thiazol-2-yl-ethyl)-acetamide
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.00001
(2S)-2-[[(3aS,6S,6aR)-4-(1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000041
(2S)-2-[[(3aS,6S,6aR)-4-(4-chloro-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000038
(2S)-2-[[(3aS,6S,6aR)-4-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000027
(2S)-2-[[(3aS,6S,6aR)-4-(5-chloro-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000022
(2S)-2-[[(3aS,6S,6aR)-4-(5-methoxy-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000117
(2S)-2-[[(3aS,6S,6aR)-4-(5-methoxy[1,3]thiazolo[5,4-b]-pyridin-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.0000074
(2S)-2-[[(3aS,6S,6aR)-4-(6-ethylcarboxylate-1,2-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]-pyrrol-1(2H)yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000017
(2S)-2-[[(3aS,6S,6aR)-4-(6-fluoro-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000043
(2S)-2-[[(3aS,6S,6aR)-4-(6-methoxy-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000018
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-meth-yl5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropoxyphenyl)pyrrolidine-1-carboxamide
-
-
0.000038
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-chlorophenyl)pyrrolidine-1-carboxamide
-
-
0.000002
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000009
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-propoxyphenyl)pyrrolidine-1-carboxamide
-
-
0.000015
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
-
-
0.000016
(2S)-2-[[(3aS,6S,6aR)-4-[(-cis-2,3-dimethylcyclopropyl)-cis-carbonyl]-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.00001
(2S)-2-[[(3aS,6S,6aR)-4-[5-[(difluoromethyl)sulfonyl]-1,3-benzothiazol-2-yl]-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)-pyrrolidine-1-carboxamide
-
-
0.00004
(2S)-2-[[(3aS,6S,6aR)-4-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-6-methyl-5-oxohexahydropyrrolo[3,2-b]-pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000025
(2S)-2-[[(3aS,6S,6aR)-6-methyl-4-(6-nitro-1,3-benzothiazol-2-yl)-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]-carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000446
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-(1,3-thiazol-2-yl)hexahydropyrrolo[3,2-b]pyrrol-1(2H)yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.000021
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-[1,3]thiazolo-[5,4-b]pyridin-2-ylhexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.00002
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
-
-
0.00004
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-(2-naphthylsulfonyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
-
0.00006
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-1-(1-naphthylsulfonyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
-
0.000079
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-1-(4-propoxybenzoyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
-
0.000033
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-1-[(4-propoxyphenyl)sulfonyl]pyrrolidin-2-yl]-carbonyl]hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
-
0.00002
(3S,3aR,6aS)-1-(Cyclopropylcarbonyl)-4-[((2S)-1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2-one
-
-
0.000039
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[(4-isopropoxyphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
-
0.000099
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[(4-isopropylphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
-
0.00002
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidin-2-yl]-carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
-
0.000034
(3S,3aR,6aS)-1-Acetyl-4-[((2S)-1-[[5-(dimethylamino)-1-naphthyl] sulfonyl]pyrrolidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
-
0.000021
(3S,3aR,6aS)-4-[[(2S)-1-(1,1'-biphenyl-4-ylcarbonyl)-pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
-
-
0.000002
(3S,3aR,6aS)-4-[[(2S)-1-[(5-chloro-3-methyl-1-benzothien-2-yl)carbonyl]pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2]pyrrol-2(1H)-one
-
-
1.52
ac-VVNASC
-
-
-
0.628
ac-VVNASCR
-
-
-
0.39
ac-VVNASCRL
-
-
-
0.072
GVVNAACRLA
-
-
0.225
GVVNASCRLA
-
-
0.699
VVNASCRL
-
-
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.00018
(2S)-2-[[(3aS,6S,6aR)-4-(1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00018 mM
0.00029
(2S)-2-[[(3aS,6S,6aR)-4-(4-chloro-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00029 mM
0.00024
(2S)-2-[[(3aS,6S,6aR)-4-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00024 mM
0.0011
(2S)-2-[[(3aS,6S,6aR)-4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]-pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.0011 mM
0.00046
(2S)-2-[[(3aS,6S,6aR)-4-(5-chloro-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00046 mM
0.00023
(2S)-2-[[(3aS,6S,6aR)-4-(5-methoxy-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00023 mM
0.00087
(2S)-2-[[(3aS,6S,6aR)-4-(5-methoxy[1,3]thiazolo[5,4-b]-pyridin-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00087 mM
0.00035
(2S)-2-[[(3aS,6S,6aR)-4-(6-ethylcarboxylate-1,2-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]-pyrrol-1(2H)yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00035 mM
0.00036
(2S)-2-[[(3aS,6S,6aR)-4-(6-fluoro-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00036 mM
0.00022
(2S)-2-[[(3aS,6S,6aR)-4-(6-methoxy-1,3-benzothiazol-2-yl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00022 mM
0.00018
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-meth-yl5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropoxyphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00018 mM
0.00065
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(1-naphthyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00065 mM
0.0014
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.0014 mM
0.00026
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-chlorophenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00026 mM
0.0002
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.0002 mM
0.00021
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-propoxyphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00021 mM
0.00023
(2S)-2-[[(3aS,6S,6aR)-4-(cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00023 mM
0.0003
(2S)-2-[[(3aS,6S,6aR)-4-[(-cis-2,3-dimethylcyclopropyl)-cis-carbony]-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.0003 mM
0.0018
(2S)-2-[[(3aS,6S,6aR)-4-[(-cis-2,3-dimethylcyclopropyl)-trans-carbonyl]-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.0018 mM
0.00021
(2S)-2-[[(3aS,6S,6aR)-4-[5-[(difluoromethyl)sulfonyl]-1,3-benzothiazol-2-yl]-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)-pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00021 mM
0.00031
(2S)-2-[[(3aS,6S,6aR)-4-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-6-methyl-5-oxohexahydropyrrolo[3,2-b]-pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00031 mM
0.0087
(2S)-2-[[(3aS,6S,6aR)-6-methyl-4-(4-nitrophenyl)-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.0087 mM
0.00039
(2S)-2-[[(3aS,6S,6aR)-6-methyl-4-(6-nitro-1,3-benzothiazol-2-yl)-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]-carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00039 mM
0.0015
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-(1,3-thiazol-2-yl)hexahydropyrrolo[3,2-b]pyrrol-1(2H)yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.0015 mM
0.02
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: above 0.02 mM
0.00029
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-[1,3]thiazolo-[5,4-b]pyridin-2-ylhexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00029 mM
0.00046
(2S)-2-[[(3aS,6S,6aR)-6-methyl-5-oxo-4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
Human herpesvirus 5
-
IC50: 0.00046 mM
1
(3aR,6R,6aS)-4-Acetyl-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: above 1 mM
0.006
(3aS,6S,6aR)-4-(2-Etoxy-acetyl)-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.006 mM
0.11 - 0.79
(3aS,6S,6aR)-4-Acetyl-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrole-1-carboxylic acid benzyl ester
0.159
(3R,3aS,6aR)-1-Acetyl-3-methyl-4-([(2S)-1-[(4-methylphenyl) sulfonyl]pyrrolidin-2-yl]carbonyl)hexahydropyrrolo[3,2-b]pyrrol-2-one
Human herpesvirus 5
-
IC50: 0.159 mM
0.5
(3R,3aS,6aR)-1-Acetyl-4-[((2S)-1-[[5-(dimethylamino)-1-naphthyl] sulfonyl]pyrrolidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
0.00019
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-(2-naphthylsulfonyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: below 0.00019 mM
0.00037
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-1-(1-naphthylsulfonyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.00037 mM
0.00054
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-1-(4-propoxybenzoyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.00054 mM
0.00023
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)-1-[(4-propoxyphenyl)sulfonyl]pyrrolidin-2-yl]-carbonyl]hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.00023 mM
0.0018
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-3-methyl-4-[[(2S)1-(phenylsulfonyl)pyrrolidin-2-yl]carbonyl]-hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.0018 mM
0.065
(3S,3aR,6aS)-1-(Cyclopropylcarbonyl)-4-([(2S)-1-[(3-isopropoxyphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2-one
Human herpesvirus 5
-
IC50: 0.065 mM
0.00034
(3S,3aR,6aS)-1-(Cyclopropylcarbonyl)-4-[((2S)-1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2-one
Human herpesvirus 5
-
IC50: 0.00034 mM
0.00039
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-(4-isopropylbenzoyl)pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)
Human herpesvirus 5
-
IC50: 0.00039 mM
0.065
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[(3-isopropoxyphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.065 mM
0.0004
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[(4-isopropoxyphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.0004 mM
0.00046
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[(4-isopropylphenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.00046 mM
0.00034
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidin-2-yl]-carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.00034 mM
0.0011
(3S,3aR,6aS)-1-(cyclopropylcarbonyl)-4-[[(2S)-1-[[6-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidin-2-yl]-carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.0011 mM
0.014
(3S,3aR,6aS)-1-Acetyl-3-methyl-4-([(2S)-1-[(4-methylphenyl) sulfonyl]pyrrolidin-2-yl]carbonyl)hexahydropyrrolo-[3,2-b]pyrrol-2-one
Human herpesvirus 5
-
IC50: 0.014 mM
0.00054
(3S,3aR,6aS)-1-Acetyl-4-[((2S)-1-[[5-(dimethylamino)-1-naphthyl] sulfonyl]pyrrolidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.00054 mM
0.05
(3S,3aR,6aS)-1-Acetyl-4-[[(2S)-1-benzoylpyrrolidin-2-yl]carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.05 mM
0.0003
(3S,3aR,6aS)-4-[[(2S)-1-(1,1'-biphenyl-4-ylcarbonyl)-pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.0003 mM
0.0014
(3S,3aR,6aS)-4-[[(2S)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-1(2H)-one
Human herpesvirus 5
-
IC50: 0.0014 mM
0.0021
(3S,3aR,6aS)-4-[[(2S)-1-(benzylsulfonyl)pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.0021 mM
0.00084
(3S,3aR,6aS)-4-[[(2S)-1-[(4-chlorophenyl)sulfonyl]pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.00084 mM
0.00019
(3S,3aR,6aS)-4-[[(2S)-1-[(5-chloro-3-methyl-1-benzothien-2-yl)carbonyl]pyrrolidin-2-yl]carbonyl]-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: 0.00019 mM
0.00014
3-[((2S)-2-[[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]pyrrolidin-1-yl)sulfonyl]-N,N-dimethylbenzamide
Human herpesvirus 5
-
IC50: 0.00014 mM
0.0022
3-[[((2S)-2-[[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]-carbonyl]pyrrolidin-1-yl)sulfonyl]methyl]-N,N-dimethylbenzamide
Human herpesvirus 5
-
IC50: 0.0022 mM
0.013
4-(2-Etoxy-acetyl)-6-methyl-5-oxohexahydropyrrolo-[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.013 mM
0.007
N-[(1S)-2-[rel-(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]-1-methyl-2-oxoethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
Human herpesvirus 5
-
IC50: 0.007 mM
0.001 - 0.367
N-[2-benzyl-4-(1H-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
0.0037 - 0.094
N-[2-benzyl-4-[(methylsulfonyl)carbamoyl]phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
0.1
N-[2-[rel-(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]-2-oxoethyl]-5-(dimethylamino)-N-methylnaphthalene-1-sulfonamide
Human herpesvirus 5
-
IC50: above 0.1 mM
0.805
rel-(3aS,6R,6aR)-4-acetoxyacetyl-6-methyl-5-oxohexahydro-pyrrolo[3,2-b]pyrrolo-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.805 mM
1.8
rel-(3aS,6R,6aR)-4-acetyl-6-methyl-5-oxo-hexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 1.8 mM, 0.5 mM, 15.4% inhibition after 15 min
0.5
rel-(3aS,6S,6aR)-4-(2,2-Dimethylpropanoyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
0.133
rel-(3aS,6S,6aR)-4-(3-Hydroxypropanoyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.133 mM
0.5
rel-(3aS,6S,6aR)-4-(4-Methoxybenzoyl)-6-methyl-5-oxohexahydropyrrolo [3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: above 0.5 mM
0.0115
rel-(3aS,6S,6aR)-4-(Bicyclo[4.2.0]octa-1,3,5-trien-7-ylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.0115 mM
0.072
rel-(3aS,6S,6aR)-4-(cis-2,3-Dimethylcyclopropanecarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.072 mM
0.032
rel-(3aS,6S,6aR)-4-(cyclobutylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.032 mM
0.009
rel-(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.009 mM
0.5
rel-(3aS,6S,6aR)-4-(Dimethoxyphosphoryl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
0.1
rel-(3aS,6S,6aR)-4-(trans-2,3-Dimethylcyclopropylcarbonyl)-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: above 0.1 mM
0.398
rel-(3aS,6S,6aR)-4-Formyl-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.398 mM
0.126
rel-(3aS,6S,6aR)-4-Isobutyryl-6-methyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.126 mM
0.5
rel-(3aS,6S,6aR)-6-Methyl-4-(methylthio)-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: above 0.5 mM
0.01
rel-(3aS,6S,6aR)-6-Methyl-4-[(2-methylcyclopropyl)-carbonyl]-5-oxohexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.01 mM
0.25
rel-(3aS,6S,6aR)-6-Methyl-5-oxo-4-(1H-pyrrol-1-ylcarbonyl)-hexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Human herpesvirus 5
-
IC50: 0.25 mM
0.5
rel-(3aS,6S,6aR)-6-Methyl-5-oxo-4-(2,2,3,3-tetramethylcyclopropylcarbonyl) hexahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
0.013
rel-(3S,3aR,6aS)-1-(Cyclopropylcarbonyl)-4-[(1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]piperidin-2-yl)carbonyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Human herpesvirus 5
-
IC50: above 0.013 mM
0.079
rel-(3S,3aR,6aS)-1-Acetyl-3-methyl-4-(2-oxo-3-phenylpropyl) hexahydropyrrolo[3,2-b]pyrrol-2-one
Human herpesvirus 5
-
IC50: 0.079 mM
0.063
rel-(3S,3aR,6aS)-1-Acetyl-3-methyl-4-(phenoxyacetyl)-hexahydropyrrolo[3,2-b]pyrrol-2-one
Human herpesvirus 5
-
IC50: 0.063 mM
0.005
rel-(3S,3aR,6aS)-1-Acetyl-3-methyl-4-[(1-methyl-1Hpyrrol-2-yl)(oxo)acetyl]hexahydropyrrolo[3,2-b]pyrrol-2-one
Human herpesvirus 5
-
IC50: 0.005 mM
0.045
rel-(3S,3aR,6aS)-1-Acetyl-3-methyl-4-[(2-phenylethyl)-sulfonyl]hexahydropyrrolo[3,2-b]pyrrol-2-one
Human herpesvirus 5
-
IC50: 0.045 mM
0.006
rel-(3S,3aR,6aS)-1-Acetyl-4-[2-(5-fluoro-2-methyl-1Hindol-3-yl)acetyl]-3-methylhexahydropyrrolo[3,2-b]pyrrol-2-one
Human herpesvirus 5
-
IC50: 0.006 mM
pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
7 - 9
-
substrate RGVVNASSRLAK
7
-
substrate SYVKASVSPE
7.2
-
assay at
pH RANGE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
6.5 - 9.5
-
pH 6.5: little activity, pH 9.5: 50% of maximal activity
TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
additional information
-
assay carried out at room temperature
TEMPERATURE RANGE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
pI VALUE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
5.3
-
isoelectric focusing, pH-gradient 5.65-4.9
5.7
-
calculation
SOURCE TISSUE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
SOURCE
-
using immunofluorescence assays staining of the two basal bodies and an anteriorly directed striated fiber in the flagellar apparatus of biflagellate Phytophthora zoospores is obtained
Manually annotated by BRENDA team
PDB
SCOP
CATH
ORGANISM
UNIPROT
Epstein-Barr virus (strain B95-8)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Human cytomegalovirus (strain AD169)
Suid herpesvirus 1 (strain Kaplan)
Suid herpesvirus 1 (strain Kaplan)
Suid herpesvirus 1 (strain Kaplan)
Suid herpesvirus 1 (strain Kaplan)
MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
29700
-
sedimentation equilibrium centrifugation in absence of glycerol
48500
-
sedimentation equilibrium centrifugation in presence of 20% glycerol
54000 - 56000
-
I-site mutant A143V, sedimentation equilibrium centrifugation, the value is concentration-dependent
55000
-
gel filtration
56000
-
gel filtration
57000
-
IC-assemblin, Western immunoassay
SUBUNITS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
homodimer
-
crystallography
monomer
-
SDS-PAGE
POSTTRANSLATIONAL MODIFICATION
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
proteolytic modification
Crystallization/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
crystal structure of HAS-2 with covalently bound diisopropyl fluorophosphate
Herpes simplex virus
-
in complex with inhibitors {N-[2-benzyl-4-(1H-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide and N-[2-benzyl-4-[(methylsulfonyl)carbamoyl]phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
-
in complex with inhibitors 3_4_21-97_3-cp2 and 3_4_21-97_3-cp3
-
crystal structure at 2.0 A resolution
-
crystal structure at 2.27 A resolution
-
crystal structure of HCMV protease in complex with the peptidomimetic inhibitor BILC 821 as protease model. Only the dimeric form of the protease is able to reorient the main-chain atoms of Arg165 along the reaction coordinate in order to stabilize more efficiently the oxyanion formed in the reaction pathway
-
crystal structure of the catalytic domain at 2.5 A resolution
-
hanging drop method, microseeding technique, each of six components in the final crystallization formula (16% polyethylene glycol 4000, 0.1 M MES pH 6.0, 0.4 M LiCl, 10% glycerol 5% tert-butanol and 5 mM Na2S2O3) plays a distinctive role and is indispensable. Free enzyme crystallizes at pH 6.0. Using 20-50 mM spermine in the crystallization buffer, crystals of two peptidomimetic inhibitor complexes with C821 are obtained at pH 7.5 and pH 8.0. Spermine is required for the inhibitor complexes to be crystallized at pH 8.0, possibly neutralizing net negative charges of the enzyme owing to its acidic pI of 5.5
-
hanging drop vapour diffusion method, wild-type and mutant enzymes
-
hanging-drop vapor diffusion method, crystal structure of the wild-typelike mutant enzyme A143Q in complex with peptidomimetic inhibitors, crystal structure of peptidomimetic inhibitor in complex with the E31R mutant enzyme
-
in complex with inhibitors 3_4_21-97_3-cp2 and 3_4_21-97_3-cp3
-
sitting-drop vapour diffusion method, crystals of the S225Y mutant in complex with the peptidomimetic inhibitor BILC408
-
in complex with inhibitors 3_4_21-97_3-cp2 and 3_4_21-97_3-cp3
-
TEMPERATURE STABILITY
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
4
-
gradual degradation, half-life 7 days
28
-
10 min 50% loss of activity of mutant enzyme A143Q/S225Y
29
-
10 min 50% loss of activity of mutant enzyme A143Q/L229R
30
-
10 min 50% loss of activity of mutant enzyme A143Q/D227N and A143Q/S225Y/L229R
35
-
10 min, 50% loss of activity of mutant enzymes A143Q and A143Q/R232H
37
-
24 h, 40% loss of activity
40
-
dimeric enzyme is reversibly dissociated
50
-
partial denaturation
52 - 55
-
melting temperature of I-site mutant A143V
additional information
-
activation energy below 25C: 5340 cal/mol
GENERAL STABILITY
ORGANISM
UNIPROT
LITERATURE
dimers of the enzyme are stabilized in high-salt buffer. The Kd for the dimer decreases by 260fold, from 0.008 mM to 31 nM, going from the low-salt to the high-salt buffer
-
STORAGE STABILITY
ORGANISM
UNIPROT
LITERATURE
-20C or -80C, 50% glycerol, 4 months, no loss of activity
-
-20C, 50 mM HEPES, 0.1 mM EDTA, 1 mM DTT, 100 mM NaCl, 50% glycerol, pH 7.5, protein concentration 0.12 mg/ml, stable 8 months or longer
-
-70C, 50 mM Tris-HCl, pH 8.0, 100 mM NaCl, 1 mM DTT, 1 mM EDTA, 20% glycerol, stable
-
Purification/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
partially purified by immobilized metal affinity chromatography
-
using affinity chromatography purified
-
wild-type and mutant forms
-
Cloned/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
coexpression of HCMV protease with N-(5'-phosphoribosyl)anthranilate isomerase substrate in Saccharomyces cerevisiae RLY07 strain. HCMV protease expressed from the full-length GAL1 promoter, subcloned on a GAL1 vector series, with discrete protein production levels of 71%, 46%, and 16% compared to the original 100% promoter
-
expressed in Escherichia coli
expressed in Sf9 cells
-
expression in Escherichia coli
-
expression in Sf9 cells
-
into the NdeI and HindIII sites of pET-17b vector and expressed in Escherichia coli BL21(DE3)pLysS
-
mutant enzymes expressed in Escherichia coli
-
separate cloning of the two chains An and Ac, expression in Sf9 cells
-
ENGINEERING
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
H61A
Herpes simplex virus
-
mutation impairs protease activity. Morphology of mutant capsids exclusively resembles those of procapsids or large cored B capsids. Specifically, mutant capsids are spherical and lack electron dense cores. Most of these particles are tightly clustered in the nucleoplasm. Mutant does not replicate to appreciable extents on CV1 cells
A133V
-
I-site mutant
A134Q
-
oligomerization at high protein concentration
A143Q
-
all enzyme samples used in this experiments contain an additional mutation, A143Q. The mutation disables one of the internal cleavage sites but has little effects on the kinetic properties of the enzyme
A143Q/D217N
-
the ratio of turnover number to Km-value is 11% of that for mutant enzyme A143Q
A143Q/D227N
-
the ratio of turnover number to Km-value is 1273fold lower than that for mutant A143Q
A143Q/E31R
-
the ratio of turnover number to Km-value is 44.6fold lower than that for the wild-typelike mutant A143Q
A143Q/E31S
-
the ratio of turnover number to Km-value is 4.8fold lower than that for the wild-typelike mutant A143Q
A143Q/H157A
-
the ratio of turnover number to Km-value is 22fold lower than that of the wild-typelike mutant enzyme A143Q
A143Q/H157E
-
the ratio of turnover number to Km-value is 11.7fold lower than that of the wild-typelike mutant enzyme A143Q
A143Q/H157Q
-
the ratio of turnover number to Km-value is 19fold lower than that of the wild-typelike mutant enzyme A143Q
A143Q/L229R
-
mutant enzyme A143Q/L229R shows approximately a 20% decrease in helical content relative to the mutant enzyme A143Q, mutant enzyme A143Q/L229R has significant lower thermal stability than the mutant enzyme A143Q; mutation has little effect on the stability of the dimer, significant lower thermal stability than the mutant enzyme A143Q. The ratio of turnover number to Km-value is 1826fold lower than that for mutant enzyme A143Q
A143Q/R137E
-
the ratio of turnover number to Km-value is 6.3fold lower than that for the wild-typelike mutant A143Q
A143Q/R232H
-
mutant enzyme A143Q/R232H essentially maintains wild-type catalytic activity, shows little change in the CD spectra compared to mutant A143Q enzyme, thermal stability is similar to that of mutant A143Q enzyme. The ratio of turnover number to Km-value is 5.1fold lower than that for mutant enzyme A143Q
A143Q/S225Y
-
mutant enzyme with large conformational changes with 40% lower helical content relative to the mutant enzyme A143Q, mutant dimer has similar stability to the mutant A143Q dimer. Many of the conformational differences between the mutant A143Q and the mutant enzyme A143Q/S225Y are likely the direct result of the mutation itself. alphaF helix tilts away from the wild type dimer two-fold axis in the S225Y mutant, creating a space near the two-fold axis to accomodate the new Tyr side chain. The S225Y mutation is the likely trigger for the change in the monomer conformation and the dimer organization, significant lower thermal stability than the mutant enzyme A143Q. The ratio of turnover number to Km-value is 1273fold lower than that for mutant enzyme A143Q
A143Q/S225Y/L229R
-
mutation has little effect on the stability of the dimer, mutant enzyme with large conformational changes with 40% lower helical content relative to the mutant enzyme A143Q, significant lower thermal stability than the mutant enzyme A143Q. The ratio of turnover number to Km-value is 1680fold lower than that for mutant enzyme A143Q
A143T/A144T
-
mutant displays better stability than wild-type and has esterase activity toward specific small ester compounds, e.g., Boc-L-Ala-4-nitrophenol
A143V
-
inability of the mutant virus to effect I-site cleavage in infected cells, mutation has no gross effect on the rate of virus production or on the amounts of extracellular virions, noninfectious enveloped particles and dense bodies
H47A
-
inactive mutant, active if coexpressed with AW5 which encodes the first 179 amino acids of assemblin with the addition of Ile, Gln, Thr
S118A
-
inactive mutant, active if coexpressed with AW5 which encodes the first 179 amino acids of assemblin with the addition of Ile, Gln, Thr
S134A/A143Q
-
the ratio of turnover number to Km-value is 150fold lower than that of the wild-typelike mutant enzyme A143Q
S134A/A143Q/H157A
-
the ratio of turnover number to Km-value is 174fold lower than that of the wild-typelike mutant enzyme A143Q
V141G/V207G
-
soluble and stable, indistinguishable from wild-type in vitro
H47A
-
mutation prevents I-site cleavage (cleavage at an internal site of assemblin, converting it to a two-chain form that remain active). Imidazole restores I-site cleavage to mutant
additional information
APPLICATION
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
analysis
-
cell growth selection system in the yeast Saccharomyces cerevisiae that can detect and characterize HCMV protease activity and is applicable to screen for HCMV protease inhibitors in a high-throughput format
medicine
-
targeting prodrugs for activation by a specific protease encoded by the infectious HCMV pathogen may be achievable. Dipeptide prodrug of ganciclovir, acetyl-L-Gln-L-Ala-ganciclover, is a potential selective prodrug candidate
additional information
-
conformational changes of the dimer upon covalent binding reproduced by molecular dynamics simulations of the noncovalent complex model, demonstrating that the HCMV protease operates by an induced-fit mechanism. Catalytic activity of the dimer is a result of more favorable interactions between the oxyanion in the covalently bound state and the backbone nitrogen of Arg165
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